COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552297
Chemical Name: (2R,3'E,6'R)-7-chloro-3'-({[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-(methylsulfanyl)propyl]amino}methylidene)-4,6-dimethoxy-6'-methyl-2'H,3H,4'H-spiro[1-benzofuran-2,1'-cyclohexane]-2',3,4'-trione
Smiles: CSCCC(c1onc(n1)C1CC1)N/C=C/1\C(=O)C[C@H]([C@@]2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C

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Molecular Weight: 562.04
Empirical Formula: C26H28ClN3O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.226
Rotatable bonds: 8
H-donors: 1
H-acceptors: 7
PSA: 155
Number of rings: 5

     

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